6I1Q
Iodide structure of Trichoderma reesei Carbohydrate-Active Enzymes Family AA12
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-04-16 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.653120 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 82.780, 82.780, 140.750 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.000 - 1.990 |
| R-factor | 0.1866 |
| Rwork | 0.185 |
| R-free | 0.22190 |
| Structure solution method | SAD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.808 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 2.050 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmeas | 0.090 | 0.790 |
| Number of reflections | 764115 | 4361 |
| <I/σ(I)> | 20.44 | |
| Completeness [%] | 99.5 | 93 |
| Redundancy | 12 | 1.07 |
| CC(1/2) | 0.990 | 0.890 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.2 | 298 | 55-60% PEG550 MME, 0.1M HEPES. Crystals were brievely soaked in 1M KI solution |
